CID 37446

Rmi 2557da

Structural Information

Molecular Formula
C37H54N2O5
SMILES
CCCCN(CCCC)CCCOC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)C(=O)OCCCN(CCCC)CCCC
InChI
InChI=1S/C37H54N2O5/c1-5-9-19-38(20-10-6-2)23-13-25-43-36(41)29-15-17-31-32-18-16-30(28-34(32)35(40)33(31)27-29)37(42)44-26-14-24-39(21-11-7-3)22-12-8-4/h15-18,27-28H,5-14,19-26H2,1-4H3
InChIKey
KLRPLWLWTFEQKR-UHFFFAOYSA-N
Compound name
bis[3-(dibutylamino)propyl] 9-oxofluorene-2,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.40326 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.41054 263.4
[M+Na]+ 629.39248 261.9
[M-H]- 605.39598 267.7
[M+NH4]+ 624.43708 269.7
[M+K]+ 645.36642 258.3
[M+H-H2O]+ 589.40052 252.5
[M+HCOO]- 651.40146 280.4
[M+CH3COO]- 665.41711 277.5
[M+Na-2H]- 627.37793 255.3
[M]+ 606.40271 276.6
[M]- 606.40381 276.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe